5-Bromo-2-ethyl-2-phenyl-1H-indene-1,3(2H)-dione
Basic information
- CAS
56898-21-6- Standard SMILES
CCC1(c2ccccc2)C(=O)c2ccc(Br)cc2C1=O- InChIKey
ISVXNYGIWZDFQM-UHFFFAOYSA-N- Molecular formula
- C17H13BrO2
- Average molar mass
- 329.2 g/mol
- Monoisotopic mass
- 328.00989
Names & identifiers
- Preferred name
- 5-Bromo-2-ethyl-2-phenyl-1H-indene-1,3(2H)-dione
- IUPAC
- 5-bromo-2-ethyl-2-phenylindene-1,3-dione
Names & synonyms
5-Bromo-2-ethyl-2-phenyl-1H-indene-1,3(2H)-dione56898-21-6DTXSID20972331RefChem:1072713DTXCID5013998051,3-Indandione, 5-bromo-2-ethyl-2-phenyl-
Database identifiers
- CAS
56898-21-6- PubChem CID
- 3044201
- DTXSID
DTXSID20972331
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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